%chk=000182935.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182935

0 1
O -4.574192 0.127007 0.877912
O 0.798076 -0.945861 0.374568
O 3.633357 -0.063802 -1.076208
N 5.420346 -0.291488 0.449250
C -5.506184 0.426670 -0.218076
C -5.344164 1.911296 -0.572799
C -6.860603 0.090556 0.418580
C -6.002601 2.251310 -1.903938
C -7.207458 -1.387795 0.283608
C -3.249931 -0.116877 0.591596
C 2.964762 -1.226219 -0.443392
C 1.512867 -1.001842 -0.892086
C -0.555557 -0.658582 0.335844
C -2.477337 -0.345329 1.758647
C -2.681763 -0.157105 -0.681859
C -1.128173 -0.617000 1.630899
C -1.311135 -0.433381 -0.812927
C 3.587654 -2.494531 -0.987571
C 4.831302 0.359451 -0.594071
C 5.384509 1.490468 -1.245071
C 6.604341 1.956527 -0.773083
C 6.615708 0.198811 0.884313
C 7.235631 1.310482 0.303900
H -5.272402 -0.233474 -1.078901
H -5.757073 2.543091 0.238335
H -4.263946 2.164794 -0.603501
H -7.653846 0.715075 -0.035709
H -6.826568 0.370954 1.494390
H -7.075561 2.025150 -1.898429
H -5.553052 1.696189 -2.735531
H -5.897037 3.319179 -2.132219
H -6.421624 -2.017801 0.722776
H -7.326951 -1.688506 -0.762792
H -8.142808 -1.624196 0.803687
H 3.059725 -1.136663 0.665762
H 1.105053 -1.829869 -1.493582
H 1.399000 -0.039148 -1.427605
H -2.963777 -0.302398 2.731840
H -3.277889 0.019172 -1.572738
H -0.494679 -0.798198 2.497946
H -0.870007 -0.463792 -1.803855
H 3.639019 -2.493248 -2.083010
H 3.029524 -3.383919 -0.669594
H 4.619110 -2.610637 -0.617618
H 4.856393 1.955682 -2.071091
H 7.074438 2.824940 -1.236543
H 7.067084 -0.338808 1.726794
H 8.188422 1.670064 0.679257


%chk=000182935-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182935

0 1
O -4.490220 0.445421 0.917954
O 0.974885 -0.699762 0.117287
O 3.574183 0.135035 -0.993802
N 5.425914 -0.718931 0.222908
C -5.527860 0.412523 -0.148188
C -5.447560 1.697785 -1.005150
C -6.861003 0.250993 0.601996
C -6.272319 1.610585 -2.308702
C -6.999912 -1.112185 1.309925
C -3.153805 0.153897 0.589116
C 3.021372 -1.254238 -1.035358
C 1.514162 -1.081029 -1.191492
C -0.404911 -0.428959 0.195622
C -2.234810 0.256269 1.667245
C -2.685407 -0.237032 -0.687256
C -0.875548 -0.031857 1.473719
C -1.312524 -0.530020 -0.883153
C 3.655409 -2.023674 -2.202756
C 4.766724 0.338831 -0.314851
C 5.227204 1.681237 -0.228611
C 6.431929 1.917036 0.455840
C 6.592529 -0.465042 0.888970
C 7.137036 0.826300 1.031542
H -5.355358 -0.482716 -0.786190
H -5.792599 2.551336 -0.390176
H -4.388702 1.897885 -1.255292
H -7.688740 0.388296 -0.120419
H -6.935340 1.072217 1.341119
H -7.349396 1.467787 -2.106534
H -5.934222 0.768038 -2.942240
H -6.165303 2.537183 -2.900695
H -6.170031 -1.261749 2.021814
H -6.979367 -1.944792 0.581097
H -7.951375 -1.175746 1.868449
H 3.254605 -1.745742 -0.074460
H 1.060238 -2.038252 -1.524478
H 1.298924 -0.294970 -1.943727
H -2.611702 0.560935 2.648290
H -3.365188 -0.321805 -1.540118
H -0.158914 0.043826 2.297049
H -0.977668 -0.831241 -1.880188
H 3.440296 -1.531193 -3.168205
H 3.266410 -3.057986 -2.239542
H 4.747313 -2.074693 -2.064245
H 4.640441 2.484517 -0.680895
H 6.818418 2.937794 0.545969
H 7.095874 -1.340636 1.314705
H 8.075922 0.974923 1.572213


